Synthesis, Crystal Structure, and Potentiometry of Pyridine-Containing Tetraaza Macrocyclic Ligands with Acetate Pendant Arms

Won D. Kim, Duane C. Hrncir, Garry E. Kiefer, A. Dean Sherry

Research output: Contribution to journalArticle

59 Scopus citations

Abstract

Tetraazamacrocycles containing the pyridine moiety as part of the cyclic backbone and acetate pendant arms were prepared. The resulting products were characterized by high resolution NMR (1H and 13C) spectroscopy and single-crystal X-ray diffraction. Single-crystal X-ray diffraction data were obtained for the following compounds: py[12]aneN4-HCl, C1H19N4CI, orthorhombic Pnma (No. 62), a = 10.304(6) Å, b = 9.160(2) Å, c = 13.552(2) Å, Z = 4, Mo Ka, λ = 0.710 69, R = 0.037, Rw = 0.036; and BP2A·2HC1·3H2O, C18H22N4O4-C12·3H2O, triclinic P1 (No. 2), a = 10.201(0) Å, b = 13.267(3) Å, c = 8.612(6) Å, α = 97.676(2)°, β = 105.821(0)°, λ = 86.363(7)°, Z = 2, Mo Ka, λ = 0.710 69, R = 0.039, Rw = 0.038. In addition, protonation constants (log Kanu and metal ion stability constants (log KML) for BP2A (log Kh1−4L. = 9.57, 5.99, 2.59, 2.22; log KMgL = 8–9; log KcaL= 10.0; log KGdL = 14.5) and PC2A (log KH1−5L = 12.5, 5.75, 3,28, 2.38, ~1; log KMgL = 8.4, log KCaL = 10.0, log KGdL = 16.6) were determined using Potentiometric and NMR pH titrations. These values agree well with previously reported literature values for analogous ligand systems.

Original languageEnglish (US)
Pages (from-to)2225-2232
Number of pages8
JournalInorganic Chemistry
Volume34
Issue number8
DOIs
StatePublished - Apr 1 1995

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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